Match comparison for Hartree energy (match type 23860)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 25-Fe_polarized.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.510589381000000e+01 3.000000000000000e-06 6.510589346066666e+01 8.731587638959062e-07 6.510589361500000e+01 1.315000005774891e-06 PASS

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Detailed information

Reference: 65.10589381, precision: 0.000003
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_min_autotools: [foss2022a-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_min_autotools: [foss2023a-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_min_autotools: [foss2023b-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_autotools: [foss2022a-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_autotools: [foss2023a-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_opt_autotools: [foss2023a-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
intel_autotools: [intel2023a-serial] 6.510589466000000e+01 8.500000063804691e-07 2.833333354601564e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_autotools: [foss2023b-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_omp_autotools: [foss2023a-serial] 6.510589401999999e+01 2.099999960591958e-07 6.999999868639861e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
intel_omp_autotools: [intel2022a-serial] 6.510589444999999e+01 6.399999961104186e-07 2.133333320368062e-01 PASS
intel_omp_autotools: [intel2023a-serial] 6.510589385999999e+01 4.999999703159119e-08 1.666666567719706e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 6.510589493000001e+01 1.120000007404087e-06 3.733333358013624e-01 PASS
foss_debug_autotools: [foss2023a-serial] 6.510589392000000e+01 1.100000019960135e-07 3.666666733200449e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 6.510589395000000e+01 1.399999973727972e-07 4.666666579093241e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 6.510589432000000e+01 5.100000066704524e-07 1.700000022234841e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 6.510589229999999e+01 -1.510000004145695e-06 -5.033333347152317e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 6.510589449000000e+01 6.799999994200334e-07 2.266666664733445e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 6.510589379000000e+01 -2.000000165480742e-08 -6.666667218269140e-03 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.510589315000000e+01 -6.599999977652260e-07 -2.199999992550753e-01 PASS